Consensus flow list

Identity

Type
Neutral molecule
CAS
502-69-2
EC
207-950-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6,10,14-trimethylpentadecan-2-one

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WHWDWIHXSPCOKZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
IUPAC name chemrof:IUPAC_name 6,10,14-trimethylpentadecan-2-one
Molecular formula chemrof:molecular_formula C18H36O
Molecular mass chemrof:molecular_mass 268.485
Monoisotopic mass chemrof:monoisotopic_mass 268.276616
SMILES string chemrof:smiles_string CC(=O)CCCC(C)CCCC(C)CCCC(C)C

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=502-69-2 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:145744 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.228 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40862063 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L8E8X8UZT6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303073 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J112.395E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=163686 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10408 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q67880075 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2b84b8c7-6022-430a-89bf-fb5b4ff589c9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c4df6a1a-32e6-4140-a94f-70bb0669f692 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
17e2b006-d92f-4693-b983-d926ff94639d Environmental → Air → Indoor EF 3.1 kg 2
1c9dc8a7-1dd3-47c5-b610-916d5513eb4a Environmental → Air → Long-term EF 3.1 kg 0
820ff037-ce2f-4ede-9218-1c3b67e6bc5c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a1b43758-1240-4313-b29f-30e5a5b542a1 Environmental → Air → Unknown EF 3.1 kg 2
d69f5e8f-3c57-4740-85c6-aa7c0b5ae1b3 Environmental → Ground → Agricultural EF 3.1 kg 2
55b87056-850a-448c-a777-856c7a3e72f7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3d897efb-cfb5-4189-adb4-0f0fdaa2fefd Environmental → Ground → Unknown EF 3.1 kg 2
7aa30e93-3ed8-4957-aee6-60ad590dc1ac Environmental → Water → Long-term EF 3.1 kg 0
39916d59-1973-4f1a-9fb1-e80cb6760cb7 Environmental → Water → Ocean EF 3.1 kg 2
f9d1c8de-d310-4570-a425-b5fb9ec04930 Environmental → Water → Surface water EF 3.1 kg 2
9c624511-0886-4ea4-93ff-365d426fc458 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0e74995365031526",
  "prefLabel": [
    {
      "@value": "6,10,14-trimethylpentadecan-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Phytone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:502-69-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=502-69-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pentadecanone, 6,10,14-trimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=502-69-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,10,14-Trimethyl-2-pentadecanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=502-69-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexahydrofarnesyl acetone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perhydrofarnesyl acetone",
      "@language": "en",
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      "provenance": {
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  ],
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          "prov:wasAttributedTo": "consensus-flow-list",
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        "WHWDWIHXSPCOKZ-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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        },
        {
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        }
      ],
      "attested_by": {
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        ]
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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    },
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}

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